1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate

C195H230N10O57S10 — CID 159940794

About 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate

1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate (PubChem CID 159940794) has the molecular formula C195H230N10O57S10 and a molecular weight of 3946.67 g/mol. Its IUPAC name is 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate.

Molecular Properties

• Compound Name: 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate
• PubChem CID: 159940794
• Molecular Formula: C195H230N10O57S10
• Molecular Weight: 3946.67 g/mol
• Exact Mass: 3943.26
• IUPAC Name: 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate
• SMILES: CCC1(OC(=O)CCC(=O)OCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)CCC(=O)OCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)CCC(=O)OCCOCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)CCC(=O)OCCOCCOCCOCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)CCCC(=O)OCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
• InChI: InChI=1S/C44H56N2O14S2.C40H48N2O12S2.C38H44N2O11S2.C37H42N2O10S2.C36H40N2O10S2/c1-2-44(35-28-37-41-32(27-31-7-3-5-9-36(31)45-41)29-46(37)42(50)34(35)30-59-43(44)51)60-40(49)12-11-39(48)58-25-23-56-21-19-54-17-15-52-14-16-53-18-20-55-22-24-57-38(47)10-6-4-8-33-13-26-61-62-33;1-2-40(31-24-33-37-28(23-27-7-3-5-9-32(27)41-37)25-42(33)38(46)30(31)26-53-39(40)47)54-36(45)12-11-35(44)52-21-19-50-17-15-48-14-16-49-18-20-51-34(43)10-6-4-8-29-13-22-55-56-29;1-2-38(29-22-31-35-26(21-25-7-3-5-9-30(25)39-35)23-40(31)36(44)28(29)24-50-37(38)45)51-34(43)12-11-33(42)49-19-17-47-15-14-46-16-18-48-32(41)10-6-4-8-27-13-20-52-53-27;1-2-37(28-21-30-34-25(20-24-8-3-5-10-29(24)38-34)22-39(30)35(43)27(28)23-48-36(37)44)49-33(42)13-7-12-32(41)47-18-16-45-15-17-46-31(40)11-6-4-9-26-14-19-50-51-26;1-2-36(48-32(41)12-11-31(40)46-17-15-44-14-16-45-30(39)10-6-4-8-25-13-18-49-50-25)27-20-29-33-24(19-23-7-3-5-9-28(23)37-33)21-38(29)34(42)26(27)22-47-35(36)43/h3,5,7,9,27-28,33H,2,4,6,8,10-26,29-30H2,1H3;3,5,7,9,23-24,29H,2,4,6,8,10-22,25-26H2,1H3;3,5,7,9,21-22,27H,2,4,6,8,10-20,23-24H2,1H3;3,5,8,10,20-21,26H,2,4,6-7,9,11-19,22-23H2,1H3;3,5,7,9,19-20,25H,2,4,6,8,10-18,21-22H2,1H3
• InChIKey: OAVRXXSKSSUHEZ-UHFFFAOYSA-N
• XLogP: 26.65
• TPSA: 811.21 Ų
• H-Bond Acceptors: 77
• Rotatable Bonds: 102
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3946.67
LogP ≤ 5	26.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	77

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate?

The IUPAC name of 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate (CID 159940794) is 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate.

What is the SMILES notation for 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate?

The canonical SMILES for 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate is CCC1(OC(=O)CCC(=O)OCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)CCC(=O)OCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)CCC(=O)OCCOCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)CCC(=O)OCCOCCOCCOCCOCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.CCC1(OC(=O)CCCC(=O)OCCOCCOC(=O)CCCCC2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.

What is the InChIKey of 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate?

The InChIKey is OAVRXXSKSSUHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H56N2O14S2.C40H48N2O12S2.C38H44N2O11S2.C37H42N2O10S2.C36H40N2O10S2/c1-2-44(35-28-37-41-32(27-31-7-3-5-9-36(31)45-41)29-46(37)42(50)34(35)30-59-43(44)51)60-40(49)12-11-39(48)58-25-23-56-21-19-54-17-15-52-14-16-53-18-20-55-22-24-57-38(47)10-6-4-8-33-13-26-61-62-33;1-2-40(31-24-33-37-28(23-27-7-3-5-9-32(27)41-37)25-42(33)38(46)30(31)26-53-39(40)47)54-36(45)12-11-35(44)52-21-19-50-17-15-48-14-16-49-18-20-51-34(43)10-6-4-8-29-13-22-55-56-29;1-2-38(29-22-31-35-26(21-25-7-3-5-9-30(25)39-35)23-40(31)36(44)28(29)24-50-37(38)45)51-34(43)12-11-33(42)49-19-17-47-15-14-46-16-18-48-32(41)10-6-4-8-27-13-20-52-53-27;1-2-37(28-21-30-34-25(20-24-8-3-5-10-29(24)38-34)22-39(30)35(43)27(28)23-48-36(37)44)49-33(42)13-7-12-32(41)47-18-16-45-15-17-46-31(40)11-6-4-9-26-14-19-50-51-26;1-2-36(48-32(41)12-11-31(40)46-17-15-44-14-16-45-30(39)10-6-4-8-25-13-18-49-50-25)27-20-29-33-24(19-23-7-3-5-9-28(23)37-33)21-38(29)34(42)26(27)22-47-35(36)43/h3,5,7,9,27-28,33H,2,4,6,8,10-26,29-30H2,1H3;3,5,7,9,23-24,29H,2,4,6,8,10-22,25-26H2,1H3;3,5,7,9,21-22,27H,2,4,6,8,10-20,23-24H2,1H3;3,5,8,10,20-21,26H,2,4,6-7,9,11-19,22-23H2,1H3;3,5,7,9,19-20,25H,2,4,6,8,10-18,21-22H2,1H3.

What are the key properties of 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate?

1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate has a molecular weight of 3946.67 g/mol, XLogP of 26.65, 102 rotatable bonds, 0 hydrogen bond donors, and 77 hydrogen bond acceptors.

Where does this data come from?

All data for 1-O-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 4-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) butanedioate;1-O-[2-[2-[5-(dithiolan-3-yl)pentanoyloxy]ethoxy]ethyl] 5-O-(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) pentanedioate is sourced from PubChem (CID 159940794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).